SCHEMBL477314

SCHEMBL477314

FC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 1.00
PIK3CD O00329 13/20 1.00
PIK3CA P42336 11/20 1.00
PIK3CG P48736 10/20 1.00
PIK3R1 P27986 4/20 1.00
PIK3C2B O00750 1/20 0.86
MTOR P42345 1/20 0.86

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28716926 0.99 PIK3CB (0.98) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL29434925 0.99 PIK3CB (0.98) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Zstk-474 SCHEMBL29357859 0.93 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Zstk-474 SCHEMBL373282 0.93 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3694970 0.91 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4588794 0.90 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434920 0.90 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL29434924 0.90 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4730034 0.90 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL28720152 0.89 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2013-10-31 US claimed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP claimed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP claimed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO claimed
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 US claimed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US claimed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP claimed
CN-117384140-B Benzimidazole derivative and application thereof 沈阳药科大学 2024-10-11 CN disclosed
CN-117384140-A Benzimidazole derivative and application thereof 沈阳药科大学 2024-01-12 CN disclosed
CN-109810100-B Benzofuran-containing PARP-1 and PI3K dual-target inhibitors 中国药科大学 2022-03-11 CN disclosed
US-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-02-16 US disclosed
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 US disclosed
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 US disclosed
WO-2011135520-A1 PIPERAZINOTRIAZINES AS PI3K INHIBITORS FOR USE IN THE TREATMENT ANTIPROLIFERATIVE DISORDERS UNIVERSITY OF BASEL (CH) 2011-11-03 WO disclosed
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-10-21 US disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 US disclosed
US-7750001-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-06 US disclosed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US disclosed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CB 172/4885PIK3CD 499/4885PIK3CA 99/4885
US-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same MTOR, PIK3CA, MAPKAP1 PIK3CB 16/4885PIK3CD 10/4885PIK3CA 2/4885
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CB 172/4885PIK3CD 499/4885PIK3CA 99/4885
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME MTOR, PIK3CA, MAPKAP1 PIK3CB 16/4885PIK3CD 10/4885PIK3CA 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.